2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol

C75H109N9O6S3 — CID 157408816

About 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol

2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol (PubChem CID 157408816) has the molecular formula C75H109N9O6S3 and a molecular weight of 1328.96 g/mol. Its IUPAC name is 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol.

Molecular Properties

• Compound Name: 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol
• PubChem CID: 157408816
• Molecular Formula: C75H109N9O6S3
• Molecular Weight: 1328.96 g/mol
• Exact Mass: 1327.77
• IUPAC Name: 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)NCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CNCCO)CC4)n3)ccc21.NCCO
• InChI: InChI=1S/C25H35N3O2S.C25H37N3OS.C23H30N2O2S.C2H7NO/c1-24(2)9-10-25(3,4)20-15-18(5-6-19(20)24)21-16-31-23(27-21)28-12-7-17(8-13-28)22(30)26-11-14-29;1-24(2)9-10-25(3,4)21-15-19(5-6-20(21)24)22-17-30-23(27-22)28-12-7-18(8-13-28)16-26-11-14-29;1-22(2)9-10-23(3,4)18-13-16(5-6-17(18)22)19-14-28-21(24-19)25-11-7-15(8-12-25)20(26)27;3-1-2-4/h5-6,15-17,29H,7-14H2,1-4H3,(H,26,30);5-6,15,17-18,26,29H,7-14,16H2,1-4H3;5-6,13-15H,7-12H2,1-4H3,(H,26,27);4H,1-3H2
• InChIKey: BOARBQUGQDKVAE-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 213.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1328.96
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol?

The IUPAC name of 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol (CID 157408816) is 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol.

What is the SMILES notation for 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol?

The canonical SMILES for 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol is CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)NCCO)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(C(=O)O)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(CNCCO)CC4)n3)ccc21.NCCO.

What is the InChIKey of 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol?

The InChIKey is BOARBQUGQDKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2S.C25H37N3OS.C23H30N2O2S.C2H7NO/c1-24(2)9-10-25(3,4)20-15-18(5-6-19(20)24)21-16-31-23(27-21)28-12-7-17(8-13-28)22(30)26-11-14-29;1-24(2)9-10-25(3,4)21-15-19(5-6-20(21)24)22-17-30-23(27-22)28-12-7-18(8-13-28)16-26-11-14-29;1-22(2)9-10-23(3,4)18-13-16(5-6-17(18)22)19-14-28-21(24-19)25-11-7-15(8-12-25)20(26)27;3-1-2-4/h5-6,15-17,29H,7-14H2,1-4H3,(H,26,30);5-6,15,17-18,26,29H,7-14,16H2,1-4H3;5-6,13-15H,7-12H2,1-4H3,(H,26,27);4H,1-3H2.

What are the key properties of 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol?

2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol has a molecular weight of 1328.96 g/mol, XLogP of 13.84, 15 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoethanol;N-(2-hydroxyethyl)-1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid;2-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]methylamino]ethanol is sourced from PubChem (CID 157408816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).